Structure Database (LMSD)

Common Name
(+)-Myristinin A
Systematic Name
Synonyms
LM ID
LMPK12020229
Formula
C33H40O7
Exact Mass
Calculate m/z
548.277405
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
JGXZVDAPLSTBGZ-IRPSRAIASA-N
InChi (Click to copy)
InChI=1S/C33H40O7/c1-2-3-4-5-6-7-8-9-10-11-26(36)32-28(38)20-27(37)31(33(32)39)25-19-29(21-12-14-22(34)15-13-21)40-30-18-23(35)16-17-24(25)30/h12-18,20,25,29,34-35,37-39H,2-11,19H2,1H3/t25-,29+/m1/s1
SMILES (Click to copy)
[C@@H]1(C2C=CC(O)=CC=2)C[C@@H](C2C(O)=C(C(=O)CCCCCCCCCCC)C(O)=CC=2O)C2=CC=C(O)C=C2O1

Other Databases

CHEBI ID
169347
METABOLOMICS ID
FL6F1ANC0002
PubChem CID
497359

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 4
Aromatic Rings 3
Rotatable Bonds 13
Van der Waals Molecular Volume 532.45
Topological Polar Surface Area 129.52
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 7.97
Molar Refractivity 153.65

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Updated at
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